SCHEMBL19365256

SCHEMBL19365256

Cc1cc(OCC(O)CO)nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N(C)CC[C@H]2C)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 8/20 0.37
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GPR52 Q9Y2T5 1/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ IDH1 O75874 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19670397 0.92 RAF1 (0.36) RAF1KDM1AMAOAMAOBKMT2A
SCHEMBL19365594 0.87 RAF1 (0.35) RAF1KDM1AMAOAMAOBSCN9A
SCHEMBL17624556 0.87 RAF1 (0.37) RAF1KDM1AMAOAMAOBKMT2A
SCHEMBL19670583 0.85 KMT2A (0.39) RAF1KDM1AMAOAMAOBKMT2A
SCHEMBL19670137 0.83 ALDH1A1 (0.34) RAF1KMT2AMEN1ALDH1A1TSHR
SCHEMBL17655329 0.80 FGFR4 (0.39) RAF1CA2CA9
SCHEMBL17655339 0.80 FGFR4 (0.39) RAF1CA2CA9
SCHEMBL19670181 0.80 RAF1 (0.35) RAF1KDM1AMAOAMAOBMTOR
SCHEMBL12654420 0.79 RAF1 (0.35) RAF1KDM1AADORA2ACA2CA9
SCHEMBL12653830 0.79 RAF1 (0.35) RAF1ADORA2ACA2CA9GPR52

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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